0 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,0,0|2,0,0]=2 14 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 C(C(=O)O)ON AOA [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 C(CN)C(=O)O BAL [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(CS)C(=O)O MPT [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 C=C(CCO)Br 3BB [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CC(C)CCN LEN [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CC(C)CCO IP3 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|0,0,0]=1 26 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CCSC(=N)N ITU [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CCSC(=N)N SEU [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 C[C@@H](CCO)O BU2 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 C[C@H](CC=O)O 5KO [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 C[C@H](CCO)O BU4 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 N=C(/N)\NCC EGD [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 N=C(\N)/[Se]CC ISU [1,0,0,0,0,0|3,0,0]=4 45 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,1,0,0,0,0|2,0,0]=3 47 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,1,0,0,0,0|2,0,0]=3 55 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [0,1,0,0,0,0|1,0,1]=3 56 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,1,0,0,0,0|1,0,1]=3 57 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [0,1,0,0,0,0|1,0,1]=3 58 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.2 CC(C)NC(=N)NO IHG [0,1,0,0,0,0|2,0,1]=4 60 B7R0.9 CC(=O)CP(=O)(O)O 7VD [0,1,0,0,0,0|3,0,0]=4 61 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,0,0|1,0,0]=2 62 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,0,0|2,0,0]=3 63 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,0,0|2,0,0]=3 64 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,0,0|2,0,0]=3 65 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,0,0,0,0|3,0,0]=4 66 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,0,0,0,0|3,0,0]=4 67 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,1,0,0,0,0|0,0,2]=3 68 B7R0.9 C[C@@H](CP(=O)(O)O)O S0H [0,1,0,0,0,0|3,0,0]=4 69 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,1,0,0,0,0|0,0,2]=3 70 B7R0.9 C[C@H](CP(=O)(O)O)O TB6 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,0,0|2,0,0]=3 72 B7R0.16 B([C@H](C(C)C)N)(O)O B2V [0,1,0,0,0,0|2,0,1]=4 73 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,0,0|2,0,1]=4 74 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,0,0|1,0,1]=3 75 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,0,0|0,0,0]=1 76 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,0,0|1,0,0]=2 77 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,0,0|1,0,0]=2 78 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,0,0|1,0,0]=2 79 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,0,0|1,0,0]=2 80 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,0,0|1,0,0]=2 81 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,0,0|1,0,0]=2 83 B7R0.16 CC(C)[C@@H](C(O)O)N VAI [0,1,0,0,0,0|1,0,2]=4 84 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,0,0|1,0,0]=2 85 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,0,0|1,0,0]=2 86 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,0,0|2,0,0]=3 87 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,0,0|2,0,0]=3 88 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,0,0|2,0,0]=3 89 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,1,0,0,0,0|2,0,0]=3 90 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,0,0|2,0,0]=3 91 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,0,0|2,0,0]=3 92 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,0,0|2,0,0]=3 93 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,0,0|2,0,0]=3 96 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,1,0,0,0,0|2,0,0]=3 100 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,0,0|2,0,0]=3 102 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,0,0|2,0,0]=3 103 B7R0.16 [C@H](C(O)O)(C(=O)O)N DDZ [0,1,0,0,0,0|3,0,0]=4 104 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|1,0,1]=3 105 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [0,0,0,1,0,0|2,0,0]=3 106 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,0,0,0,1,0|3,0,0]=4 107 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,1,0|2,0,1]=4 108 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,1,0|2,0,1]=4 109 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,1,0|1,0,0]=2 110 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,0,0,1,0|2,0,1]=4 111 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,1,0|1,0,0]=2 112 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,1,0|1,0,0]=2 113 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,1,0|1,0,0]=2 114 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,0,0,1,0|1,0,1]=3 115 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,1,0|2,0,0]=3 116 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,1,0|1,0,0]=2 117 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,1,0|1,0,0]=2 118 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,1,0|2,0,0]=3 119 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,1,0|2,0,0]=3 120 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,1,0|2,0,0]=3 121 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,1,0|2,0,0]=3 122 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,1,0|2,0,0]=3 123 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,1,0|2,0,0]=3 124 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,1,0|2,0,0]=3 125 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,1,0|2,0,0]=3 126 B5R0.5 C[C@@H](C(=S)O)N ALT [0,0,0,0,1,0|2,0,1]=4 127 B5R0.5 C[C@@H]([C@H](C)O)O BUD [0,0,0,0,1,0|1,0,2]=4 128 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,1,0|1,0,0]=2 129 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,1,0|2,0,0]=3 130 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,1,0|2,0,0]=3 131 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,1,0|2,0,0]=3 132 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,1,0|2,0,0]=3 133 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [0,0,0,0,1,0|1,0,2]=4 134 B5R0.5 C[C@H]([C@H](C)O)O BU9 [0,0,0,0,1,0|1,0,2]=4 135 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,0,0,0,1,0|3,0,0]=4 136 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,1|2,0,1]=4 137 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,1|2,0,1]=4 138 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,1|1,0,0]=2 139 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,1|1,0,0]=2 140 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,1|1,0,0]=2 141 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,1|2,0,0]=3 142 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,1|2,0,0]=3 143 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,0,0,0,0,1|1,0,2]=4 144 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,0]=3 163 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,0]=3 164 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 166 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|0,0,0]=2 170 B4R0.1 CC(C)CN IBN [2,0,0,0,0,0|1,0,0]=3 171 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|0,0,1]=3 172 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 173 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,0]=3 174 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|1,0,0]=3 175 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 CN(C)C=O DMF [2,0,0,0,0,0|1,0,0]=3 177 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 C[C@@H](C=O)N 5XU [2,0,0,0,0,0|1,0,0]=3 181 B4R0.1 C[C@@H](CBr)O EBH [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 C[C@@H](CCl)Cl CP2 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 C[C@@H](CO)N 2A1 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.1 C[C@@H](CO)O PGO [2,0,0,0,0,0|1,0,1]=4 185 B4R0.1 C[C@@H](CO)O PGQ [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.1 C[C@H](CBr)O 1BP [2,0,0,0,0,0|2,0,0]=4 189 B4R0.1 C[C@H](CO)N 2A3 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.1 C[C@H](CO)O HP3 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 C[C@H](CO)O PGR [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 C[C@H](C[NH3+])O FOP [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 C(C=O)C=O MDD [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|1,0,0]=3 195 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|0,0,2]=4 196 B4R0.2 CCCCBr BBU [2,0,0,0,0,0|1,0,1]=4 197 B4R0.2 CCCCC LNK [2,0,0,0,0,0|0,0,1]=3 198 B4R0.2 CCCCN LYT [2,0,0,0,0,0|1,0,1]=4 199 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|0,0,2]=4 200 B4R0.2 CCC[N+]#[C-] NPN [2,0,0,0,0,0|1,0,1]=4 201 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|1,0,0]=3 202 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|1,0,1]=4 203 B4R0.2 COCCO MXE [2,0,0,0,0,0|2,0,0]=4 204 B4R0.2 COCC[O-] MOE [2,0,0,0,0,0|2,0,0]=4 205 B6R0.1 CCC(=O)OCC CA1 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.1 CCC[C@@H](CO)O 1SP [1,1,0,0,0,0|0,0,2]=4 207 B6R0.1 CCNC(=O)OC MEC [1,1,0,0,0,0|1,0,0]=3 208 B6R0.1 CCOC(=O)CN GEE [1,1,0,0,0,0|1,0,0]=3 209 B6R0.1 CCOC(=O)NC EMB [1,1,0,0,0,0|1,0,0]=3 210 B6R0.1 CCS[C@H](C)SC 0AJ [1,1,0,0,0,0|1,0,1]=4 211 B6R0.3 C([C@@H](C(=O)N)N)O SET [1,1,0,0,0,0|2,0,0]=4 212 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.3 C([C@@H](C(=O)O)N)N DPP [1,1,0,0,0,0|2,0,0]=4 215 B6R0.3 C([C@@H](C(=O)O)N)O SEG [1,1,0,0,0,0|2,0,0]=4 216 B6R0.3 C([C@@H](C(=O)O)N)O SER [1,1,0,0,0,0|2,0,0]=4 217 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [1,1,0,0,0,0|2,0,0]=4 218 B6R0.3 C([C@@H](C(=O)O)N)S BTC [1,1,0,0,0,0|2,0,0]=4 219 B6R0.3 C([C@@H](C(=O)O)N)S CYS [1,1,0,0,0,0|2,0,0]=4 220 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [1,1,0,0,0,0|2,0,0]=4 221 B6R0.3 C([C@@H](C(=O)O)N)S FCY [1,1,0,0,0,0|2,0,0]=4 222 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [1,1,0,0,0,0|2,0,0]=4 223 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [1,1,0,0,0,0|2,0,0]=4 224 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [1,1,0,0,0,0|2,0,0]=4 225 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [1,1,0,0,0,0|2,0,0]=4 226 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [1,1,0,0,0,0|2,0,0]=4 227 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [1,1,0,0,0,0|2,0,0]=4 228 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [1,1,0,0,0,0|2,0,0]=4 229 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG [1,1,0,0,0,0|2,0,0]=4 234 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG [1,1,0,0,0,0|2,0,0]=4 235 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [1,1,0,0,0,0|2,0,0]=4 236 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [1,1,0,0,0,0|2,0,0]=4 237 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG [1,1,0,0,0,0|2,0,0]=4 238 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG [1,1,0,0,0,0|2,0,0]=4 239 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [1,1,0,0,0,0|2,0,0]=4 240 B6R0.3 C([C@H](C(=O)O)N)N 2RA [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 C([C@H](C(=O)O)N)O DSN [1,1,0,0,0,0|2,0,0]=4 242 B6R0.3 C([C@H](C(=O)O)N)S DCY [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 C([C@H](C(=O)O)O)O DGY [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 CC(=O)[C@H](CO)O DE2 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.3 CC(C)[C@@H](CO)N VOL [1,1,0,0,0,0|0,0,2]=4 247 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [1,1,0,0,0,0|0,0,1]=3 248 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [1,1,0,0,0,0|0,0,1]=3 249 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|1,0,1]=4 250 B6R0.3 CCC(C(=O)O)N AA3 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,1,0,0,0,0|1,0,0]=3 254 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,1,0,0,0,0|1,0,0]=3 255 B6R0.3 CC[C@H](C(=O)O)N DBB [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 CC[C@H](C)C(=O)O SMB [1,1,0,0,0,0|1,0,0]=3 257 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 C[C@@H](C(=O)O)NC MAA [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 C[C@@H](CN)C(=O)O 62H [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 C[C@H](C(=O)O)NC 33X [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 C[C@H](CO)C(=O)O HIU [1,1,0,0,0,0|2,0,0]=4 264 B6R0.3 C[C@H](CS)C(=O)O CC8 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [1,1,0,0,0,0|1,0,1]=4 266 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.4 C#CCCC(=O)O 54L [1,1,0,0,0,0|1,0,1]=4 270 B6R0.4 C(CC(=O)O)C=O SSN [1,1,0,0,0,0|1,0,1]=4 271 B6R0.4 C(CC(=O)O)CBr 0A5 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.4 C(CC(=O)O)CN ABU [1,1,0,0,0,0|1,0,0]=3 273 B6R0.4 C(CSS)C(=O)O 3SS [1,1,0,0,0,0|2,0,0]=4 274 B6R0.4 CC(C)CCC=O MOP [1,1,0,0,0,0|0,0,0]=2 275 B6R0.4 CCCCC(=O)O LEA [1,1,0,0,0,0|1,0,0]=3 276 B6R0.4 CCCCC(=O)O PEI [1,1,0,0,0,0|1,0,0]=3 277 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,0]=2 278 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|1,0,0]=3 279 B6R0.4 CN(C)CCCN DIB [1,1,0,0,0,0|1,0,1]=4 280 B6R0.5 CC(C)(C)CCN 2G3 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.5 CC(C)(C)CCO 33D [1,1,0,0,0,0|0,0,2]=4 282 B6R0.5 CC(C)(C)OC=O TBF [1,1,0,0,0,0|1,0,0]=3 283 B6R0.5 CCO[P@](=O)(C)O VX [1,1,0,0,0,0|2,0,0]=4 284 B6R0.5 C[N+](C)(C)CC=O BTL [1,1,0,0,0,0|1,0,0]=3 285 B6R0.7 CC(C)(C(=O)O)Br B2P [0,1,0,0,1,0|1,0,0]=3 286 B6R0.7 CC(C)(C(=O)O)N AIB [0,1,0,0,1,0|1,0,0]=3 287 B6R0.7 CC(C)(C)C(=O)N TAY [0,1,0,0,1,0|1,0,0]=3 288 B6R0.7 CC(C)(C)C(=O)O PIV [0,1,0,0,1,0|1,0,0]=3 289 B6R0.7 C[C@H](C(C)(C)C)N 00D [0,1,0,0,1,0|1,0,1]=4 290 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,1,0,0,0,1|2,0,0]=4 291 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,0,0,0,1|2,0,0]=4 292 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,0,0,0,1|2,0,0]=4 293 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,1,0,0,0,1|1,0,0]=3 294 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,0,0,0,1|1,0,0]=3 295 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,0,0,0,1|2,0,0]=4 296 B8R0.9 COC(CCC(=O)O)O HMB [0,1,0,0,0,1|2,0,0]=4 297 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,1|1,0,0]=3 298 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,0,1|1,0,0]=3 299 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,1|0,0,0]=2 300 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,0,1|1,0,0]=3 301 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,0,1|1,0,0]=3 302 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,0,1|1,0,0]=3 303 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,0,1|1,0,0]=3 304 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,0,1|1,0,0]=3 305 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,0,1|1,0,0]=3 306 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,0,1|1,0,0]=3 307 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,0,1|1,0,0]=3 308 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,0,1|1,0,0]=3 309 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,0,1|1,0,0]=3 310 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,0,1|1,0,0]=3 311 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,0,1|1,0,0]=3 312 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,1|1,0,1]=4 313 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,0,1|1,0,0]=3 314 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,0,1|1,0,0]=3 315 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,1,0,0,0,1|2,0,0]=4 316 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,1,0,0,0,1|2,0,0]=4 317 B8R0.29 CC(C)CO[P@@](=O)(C)O VR [0,1,0,0,0,1|1,0,0]=3 318 B8R0.2 C([C@@H]([C@H](C(=O)O)O)O)O LTH [0,2,0,0,0,0|2,0,0]=4 319 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)Cl CTH [0,2,0,0,0,0|2,0,0]=4 320 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)O TH6 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.2 C([C@H]([C@@H](C(=O)[O-])O)O)O THE [0,2,0,0,0,0|2,0,0]=4 322 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)N PRW [0,2,0,0,0,0|2,0,0]=4 323 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)O EAX [0,2,0,0,0,0|2,0,0]=4 324 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,2,0,0,0,0|0,0,0]=2 325 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,2,0,0,0,0|0,0,0]=2 326 B8R0.2 CC(C)[C@H](C(=O)NO)N HAV [0,2,0,0,0,0|1,0,0]=3 327 B8R0.2 CC([C@H](C(=O)O)N)OC XDT [0,2,0,0,0,0|1,0,0]=3 328 B8R0.2 CC([C@H](C(=O)O)N)SC 1ME [0,2,0,0,0,0|1,0,0]=3 329 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N IIL [0,2,0,0,0,0|1,0,0]=3 330 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N DIL [0,2,0,0,0,0|1,0,0]=3 331 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,2,0,0,0,0|1,0,1]=4 332 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE [0,2,0,0,0,0|1,0,0]=3 333 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [0,2,0,0,0,0|1,0,0]=3 334 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)O OIL [0,2,0,0,0,0|1,0,0]=3 335 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [0,2,0,0,0,0|1,0,0]=3 336 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [0,2,0,0,0,0|1,0,0]=3 338 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N 28J [0,2,0,0,0,0|1,0,0]=3 339 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)O VAH [0,2,0,0,0,0|2,0,0]=4 340 B8R0.2 C[C@H](C=O)[C@@H](C(=O)O)N LVN [0,2,0,0,0,0|1,0,1]=4 341 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC OLT [0,2,0,0,0,0|1,0,0]=3 342 B8R0.5 CCOC(=O)CC(=O)C EAC [0,2,0,0,0,0|1,0,1]=4 343 B8R0.34 C[C@@H](C[C@@](C)(CO)O)O MQD [0,2,0,0,0,0|0,0,2]=4 344 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BUG [0,2,0,0,0,0|1,0,0]=3 345 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HV5 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TBG [0,2,0,0,0,0|1,0,0]=3 347 B8R0.27 CC(C)(C)[C@H](C(=O)O)N TDD [0,2,0,0,0,0|1,0,0]=3 348 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HVA [0,2,0,0,0,0|1,0,0]=3 349 B8R0.27 CC(C)([C@@H](C(=O)O)N)S LE1 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.27 CC(C)([C@@H](C(=O)O)O)O 89V [0,2,0,0,0,0|1,0,0]=3 351 B8R0.27 CC(C)([C@H](C(=O)O)N)O DHV [0,2,0,0,0,0|1,0,0]=3 352 B8R0.27 CC(C)([C@H](C(=O)O)N)S LEI [0,2,0,0,0,0|1,0,0]=3 353 B8R0.27 CC(C)[C@H](N)P(=O)(O)O PVA [0,2,0,0,0,0|2,0,0]=4 354 B8R0.33 CC(C)(CC(C)(C)O)O KP1 [0,2,0,0,0,0|0,0,2]=4 355 B8R0.18 CC(C)[C@@H](C(=O)N)NC MNV [0,2,0,0,0,0|1,0,0]=3 356 B8R0.18 CC(C)[C@@H](C(=O)O)NC MVA [0,2,0,0,0,0|1,0,0]=3 357 B8R0.18 CC(C)[C@H](C(=O)O)NC MV9 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.18 C[C@H]([C@@H](C(=O)O)NC)O NZC [0,2,0,0,0,0|2,0,0]=4 359 B8R0.37 C[C@@H]([C@@](C)(C(=O)O)O)O QFH [0,2,0,0,0,0|2,0,0]=4 360 B8R0.37 C[C@H]([C@@](C)(C(=O)O)O)O 23B [0,2,0,0,0,0|2,0,0]=4 361 B8R0.37 C[C@H]([C@](C)(C(=O)O)O)O WTZ [0,2,0,0,0,0|2,0,0]=4 362 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,0]=3 363 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|1,0,0]=3 364 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|0,0,0]=2 365 B6R1.2 C1CCC(C1)N 1CB [1,0,0,1,0,0|1,0,1]=4 366 B6R1.2 C1CCC(C1)O YEG [1,0,0,1,0,0|0,0,2]=4 367 B6R1.2 C1CNC[C@@H]1N 04S [1,0,0,1,0,0|2,0,0]=4 368 B6R1.2 C1CNC[C@H]1O 6SP [1,0,0,1,0,0|2,0,0]=4 369 B6R1.3 COCC1CC1 09U [1,0,0,1,0,0|1,0,0]=3 370 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,1,0,1|1,0,1]=4 371 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,1,0,1|1,0,1]=4 372 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,1,0,0|1,0,1]=4 373 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.40 C[C@@H](CC1CC1)C=O CPP [0,1,0,1,0,0|0,0,1]=3 375 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,2|0,0,1]=3 376 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,2|1,0,0]=3